SCHEMBL528894

SCHEMBL528894

COC(C(=O)NCCCCCCNC=NN)C(=O)NCCCCNCCC(C)N

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
GRIA1 P42261 1/20 0.30
TLR2 O60603 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8778906 1.00 RRM1 (0.33) RRM1S1PR2S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL8921705 0.93 S1PR1 (0.40) S1PR2S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL8919870 0.93 S1PR1 (0.40) S1PR2S1PR1S1PR3S1PR5
SCHEMBL9017360 0.87 GRIA1 (0.41) GNAI3GNAO1GNAI1GRIA1CHRNB2
SCHEMBL8778928 0.87 RRM1 (0.35) RRM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL528796 0.87 RRM1 (0.35) RRM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL526872 0.87 GRIA1 (0.41) GNAI3GNAO1GNAI1GRIA1CHRNB2
SCHEMBL526843 0.86 RRM1 (0.35) RRM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8778929 0.86 RRM1 (0.35) RRM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL527539 0.85 DPP7 (0.34) RRM1DPP7GNAI3GNAO1GNAI1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190278-A1 Compounds for the Treatment/Prevention of Ocular Inflammatory Diseases LABORATOIRES FOURNIER SA (FR) 2013-07-25 US disclosed
EP-2598131-A1 COMPOUNDS FOR THE TREATMENT/PREVENTION OF OCULAR INFLAMMATORY DISEASES Laboratoires Fournier S.A. (FR) 2013-06-05 EP disclosed
WO-2012013884-A1 COMPOUNDS FOR THE TREATMENT/PREVENTION OF OCULAR INFLAMMATORY DISEASES LABORATOIRES FOURNIER SA (FR) 2012-02-02 WO disclosed
EP-0669316-B1 Analogs of 15-deoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER IND & SANTE (FR) 1997-07-30 EP disclosed
EP-0669316-A1 Analogs of 15-déoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER INDUSTRIE ET SANTE (FR) 1995-08-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130190278-A1 Compounds for the Treatment/Prevention of Ocular Inflammatory Diseases TNF, NFKBIA, ALDH1A2 RRM1 3467/4885S1PR2 408/4885S1PR1 327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.